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Complex #8868 — Au(1)

2D Structure

Structure
⬇ MOL V3000

Info

ID8868
MetalAu
Oxidation state1
Charge0
Donor atoms{"O": 2, "S": 1, "P": 1}
Abbreviation
SMILES[CH3-]->[Ti+4]12345678(<-[O-]C(=O)c9ccc([S-])cc9)(<-[CH-]9[C]1=[C]2[C]3=[C]94)<-[CH-]1[C]5=[C]6[C]7=[C]18.c1ccc(P(c2ccccc2)c2ccccc2)cc1

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CAKI-10.12 10.1039/c5sc01753j 2015
HEK293T0.49 10.1039/c5sc01753j 2015
human renal proximal tubular cells (RPTC)2.7 10.1039/c5sc01753j 2015
CAKI-12.7 10.1016/j.ejmech.2018.10.034 2018
IMR-904 10.1016/j.ejmech.2018.10.034 2018

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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